N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C23H25N9O — CID 169237618

About N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 169237618) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 169237618
• Molecular Formula: C23H25N9O
• Molecular Weight: 443.52 g/mol
• Exact Mass: 443.22
• IUPAC Name: N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• SMILES: COc1ccnc(Nc2nc(-c3nccn3C)nn3cc(-c4ccn(C(C)C)n4)c(C)c23)c1
• InChI: InChI=1S/C23H25N9O/c1-14(2)31-10-7-18(28-31)17-13-32-20(15(17)3)21(26-19-12-16(33-5)6-8-24-19)27-22(29-32)23-25-9-11-30(23)4/h6-14H,1-5H3,(H,24,26,27,29)
• InChIKey: QLXLRFYXNVHXEZ-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 99.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.52
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 169237618) is N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1ccnc(Nc2nc(-c3nccn3C)nn3cc(-c4ccn(C(C)C)n4)c(C)c23)c1.

What is the InChIKey of N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is QLXLRFYXNVHXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-14(2)31-10-7-18(28-31)17-13-32-20(15(17)3)21(26-19-12-16(33-5)6-8-24-19)27-22(29-32)23-25-9-11-30(23)4/h6-14H,1-5H3,(H,24,26,27,29).

What are the key properties of N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 443.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 169237618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).